SCHEMBL16628845

SCHEMBL16628845

NCC1CCC(=O)N1.O=C1CC(C(=O)O)CN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
GABRR1 P24046 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Oxalic Acid SCHEMBL30538366 0.80 ITGB1 (0.38) ITGB3ITGB2ITGB1ITGAVITGA2B
Hydrochloric Acid SCHEMBL23250525 0.78
SCHEMBL1491235 0.78
SCHEMBL761123 0.78
SCHEMBL14749839 0.78
SCHEMBL437804 0.78
SCHEMBL864422 0.78
SCHEMBL864423 0.78
Hydrochloric Acid SCHEMBL22659576 0.76
Hydrochloric Acid SCHEMBL20540318 0.76

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029235-B1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AMIDE ORÉAL L (FR) 2015-04-15 EP claimed